“Noncovalent Interaction”: A Chemical Misnomer That Inhibits Proper Understanding of Hydrogen Bonding, Rotation Barriers, and Other Topics

por Weinhold, Frank
Publicado 2023

Anti-Electrostatic Pi-Hole Bonding: How Covalency Conquers Coulombics

por Weinhold, Frank
Publicado 2022

High-Density “Windowpane” Coordination Patterns of Water Clusters and Their NBO/NRT Characterization

por Weinhold, Frank
Publicado 2022

Valency and Bonding: A Natural Bond Orbital Donor-Acceptor Perspective

por Weinhold, Frank, Landis, Clark
Publicado 2005

What Is the Nature of Supramolecular Bonding? Comprehensive NBO/NRT Picture of Halogen and Pnicogen Bonding in RPH(2)···IF/FI Complexes (R = CH(3), OH, CF(3), CN, NO(2))

por Jiao, Yinchun, Weinhold, Frank
Publicado 2019

NBO/NRT Two-State Theory of Bond-Shift Spectral Excitation

por Jiao, Yinchun, Weinhold, Frank
Publicado 2020

Pauling’s Conceptions of Hybridization and Resonance in Modern Quantum Chemistry

por Glendening, Eric D., Weinhold, Frank
Publicado 2021

Spectroscopic Evidence for Clusters of Like‐Charged Ions in Ionic Liquids Stabilized by Cooperative Hydrogen Bonding

por Knorr, Anne, Stange, Peter, Fumino, Koichi, Weinhold, Frank, Ludwig, Ralf
Publicado 2016

Predicting the Ionic Product of Water

por Perlt, Eva, von Domaros, Michael, Kirchner, Barbara, Ludwig, Ralf, Weinhold, Frank
Publicado 2017

Hyperfine-Shifted (13)C Resonance Assignments in an Iron−Sulfur Protein with Quantum Chemical Verification: Aliphatic C−H···S 3-Center−4-Electron Interactions

por Westler, William M., Lin, I-Jin, Perczel, András, Weinhold, Frank, Markley, John L.
Publicado 2011

Can a Wanzlick-like equilibrium exist between dicoordinate borylenes and diborenes?

por Fantuzzi, Felipe, Jiao, Yinchun, Dewhurst, Rian D., Weinhold, Frank, Braunschweig, Holger, Engels, Bernd
Publicado 2022

Accurate Structure and Dynamics of the Metal-Site of Paramagnetic Metalloproteins from NMR Parameters Using Natural Bond Orbitals

por Hansen, D. Flemming, Westler, William M., Kunze, Micha B. A., Markley, John L., Weinhold, Frank, Led, Jens J.
Publicado 2012